SCHEMBL743942

SCHEMBL743942

N#Cc1ccc(C2(O)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
CCR1 P32246 1/20 0.39
MAPKAPK2 P49137 1/20 0.37
CA2 P00918 3/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
DRD2 P14416 1/20 0.35
CA1 P00915 2/20 0.34
CYP19A1 P11511 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
MMP3 P08254 1/20 0.32
ENPP2 Q13822 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14403245 0.86 DRD2 (0.39) OPRM1OPRK1OPRL1DRD2HRH3
SCHEMBL4821949 0.86 OPRL1 (0.57) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL613625 0.81 HSD11B1 (0.38) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL249601 0.81 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL4445503 0.78 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL517455 0.78 OPRM1 (0.54) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL16762049 0.77 OPRL1 (0.50) OPRM1OPRD1OPRK1OPRL1CCR1
SCHEMBL742824 0.77 DRD2 (0.37) OPRM1OPRK1OPRL1CCR1DRD2
SCHEMBL613410 0.77 DRD2 (0.55) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL2385636 0.77 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
US-8637576-B2 Benzamide derivatives and uses related thereto AMGEN INC. (US) 2014-01-28 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
EP-1904435-B1 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC (US) 2013-01-02 EP disclosed
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 EP disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
EP-1904435-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO Amgen Inc. (US) 2008-04-02 EP disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
US-20060293392-A1 Benzamide derivatives and uses related thereto AMGEN INC. 2006-12-28 US disclosed
WO-2006138508-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC. (US) 2006-12-28 WO disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 OPRM1 296/4885OPRD1 193/4885OPRK1 121/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 OPRM1 277/4885OPRD1 165/4885OPRK1 115/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 OPRM1 296/4885OPRD1 193/4885OPRK1 121/4885
US-20060293392-A1 Benzamide derivatives and uses related thereto GPR119, GLP1R, UGT2B7 OPRM1 970/4885OPRD1 711/4885OPRK1 1219/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.